ethyl 5-methyl-1,2,4-oxadiazole-3-carboxylate - ≥97% , CAS No.40699-38-5

CAS: 40699-38-5 Cat. No.: E635913 Peso molecular: 156.14 Número EC: 692-236-1 PubChem CID: 13597566

GRADE & PURITY ≥97%

Synonyms

BB 0257125 | Ethyl 5-methyl-[1,2,4]oxadiazole-3-carboxylate | Ethyl 5-methyl[1,2,4]oxadiazole-3-carboxylate | FT-0682776 | A6795 | AS-5034 | MFCD09864941 | AB53913 | 5-METHYL-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID ETHYL ESTER | EN300-117730 | BCP00417 | 5-Met

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BB 0257125 | Ethyl 5-methyl-[1, 2, 4]oxadiazole-3-carboxylate | Ethyl 5-methyl[1, 2, 4]oxadiazole-3-carboxylate | FT-0682776 | A6795 | AS-5034 | MFCD09864941 | AB53913 | 5-METHYL-1, 2, 4-OXADIAZOLE-3-CARBOXYLIC ACID ETHYL ESTER | EN300-117730 | BCP00417 | 5-Met

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=NOC(=N1)C
• IUPAC Name: ethyl 5-methyl-1,2,4-oxadiazole-3-carboxylate
• InChIKey: HNDWRTBIZFQJTB-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O3/c1-3-10-6(9)5-7-4(2)11-8-5/h3H2,1-2H3
• Isómeros SMILES: CCOC(=O)C1=NOC(=N1)C
• CAS alternativo: 40699-38-5
• PubChem CID: 13597566
• Peso molecular: 156.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-oxadiazoles
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - 1,2,4-oxadiazole - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 2, and 4, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 156.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 156.053 Da
• Monoisotopic Mass: 156.053 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1